6484-0099 Screening compound: 4-[1-(3-methoxypropyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid

6484-0099 Screening compound: 4-[1-(3-methoxypropyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid
6484-0099 Screening compound: 4-[1-(3-methoxypropyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6484-0099
4-[1-(3-methoxypropyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6484-0099

Molecular Formula

C25H21N3O6 (C25 H21 N3 O6)

Compound Name

4-[1-(3-methoxypropyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid

IUPAC name

4-[7-(3-methoxypropyl)-4617-trioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)3(8)111315-pentaen-2-yl]benzoic acid

SMILES

COCCCN(C(NC(c1c2cccc1)=C(C1c(cc3)ccc3C(O)=O)C2=O)=C1C(N1)=O)C1=O

InChI

InChI=1S/C25H21N3O6/c1-34-12-4-11-28-22-19(23(30)27-25(28)33)17(13-7-9-14(10-8-13)24(31)32)18-20(26-22)15-5-2-3-6-16(15)21(18)29/h2-3,5-10,17,26H,4,11-12H2,1H3,(H,31,32)(H,27,30,33)/t17-/m0/s1

InChI Key

DXWWYCHXVXOBGX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07180995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

-0.317

Water Solubility, LogSw

-3.32

Polar Surface Area

101.388

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6484-0099 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6484-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6484-0099?
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What is the minimum amount of 6484-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6484-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6484-0099
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6484-0099 available by request